Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45812b1be4cd515c9641e29693932922",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.432,
"b": 84.574,
"c": 88.024,
"alpha": 90.00,
"beta": 131.02,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.410,1.310],
"number_observations": 764174,
"number_observations_unique": 124157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.310],
"number_observations": 10804,
"number_observations_unique": 4140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.719
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 17.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [66.410,4.150],
"number_observations": 36005,
"number_observations_unique": 5408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 80.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}